2 papers
cs.LG2026
FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching
Joongwon Lee, Seonghwan Kim, Seokhyun Moon +2
We introduce FragFM, a novel hierarchical framework via fragment-level discrete flow matching for efficient molecular graph generation. FragFM generates molecules at the fragment l…
q-bio.BM2026
BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design
Joongwon Lee, Wonho Zhung, Jisu Seo +1
Recent remarkable advancements in geometric deep generative models, coupled with accumulated structural data, enable structure-based drug design (SBDD) using only target protein in…